[gmx-users] Insert a certain number of water molecules into a nanotube

toby10222224 at sina.com toby10222224 at sina.com
Sun Jul 19 05:59:24 CEST 2009


 Dear all:
 
     I am trying to insert a certain number of water molecules into a nanotube with Gromacs-4.0.5. 
When I input the command "genbox -cp tube.gro -ci spc216.gro -nmol 328 -try 20 -o", 
I get the following error.
 
Program genbox, VERSION 4.0.5
Source code file: gmx_genbox.c, line: 318
 
Fatal error:
more then one residue in insert molecules
program terminated
 
Should the insert molecules be no more than one residue? 
If it should be, how can I insert 328 water molecules into the tube?
Are there any other commands in Gromacs that can be used for the same thing?
 
Thank you in advance!
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